SCHEMBL11587279

SCHEMBL11587279

COc1cc(N=Nc2ccc(S(=O)(=O)N(C)CCS(=O)(=O)O)cc2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.47
▸ PTGS1 P23219 2/20 0.46
▸ PHLPP2 Q6ZVD8 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ F2 P00734 2/20 0.35
▸ PRSS1 P07477 2/20 0.35
▸ PRSS2 P07478 2/20 0.35
▸ PRSS3 P35030 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SENP3 Q9H4L4 2/20 0.35
▸ SENP2 Q9HC62 2/20 0.35
▸ SENP1 Q9P0U3 2/20 0.35
▸ SUMO2 P61956 1/20 0.35
▸ SUMO1 P63165 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11518495 0.87 PDE4D (0.43) PDE4DMAPTGAAKMT2ARXFP1
SCHEMBL5957802 0.79 PTGS2 (0.59) PTGS2PTGS1PHLPP2MAPTGAA
SCHEMBL4649630 0.79 PTGS2 (0.59) PTGS2PTGS1PHLPP2MAPTGAA
SCHEMBL11587276 0.79 PTGS2 (0.48) PTGS2PTGS1PHLPP2MAPTGAA
SCHEMBL23144411 0.74 KMT2A (0.54) PDE4DMAPTKMT2ARXFP1SIGMAR1
SCHEMBL29811288 0.74 KMT2A (0.54) PDE4DMAPTKMT2ARXFP1SIGMAR1
SCHEMBL11522008 0.73 CYP2D6 (0.49) GAAKMT2ARXFP1SIGMAR1ALDH1A1
SCHEMBL13152007 0.73 PTGS2 (0.51) PTGS2PTGS1PHLPP2MAPTGAA
SCHEMBL11517824 0.72 CA12 (0.47) GAAKMT2ARXFP1ALDH1A1
SCHEMBL5720651 0.71 ALDH1A1 (0.59) PTGS2PTGS1MAPTGAAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4118381-A COLORFASTNESS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 — — US disclosed
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